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Information card for entry 4345617
Preview
| Coordinates | 4345617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H62 B N3 Si |
|---|---|
| Calculated formula | C58 H62 B N3 Si |
| Title of publication | Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies. |
| Authors of publication | Li, Yan; Siwatch, Rahul Kumar; Mondal, Totan; Li, Yongxin; Ganguly, Rakesh; Koley, Debasis; So, Cheuk-Wai |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 4112 - 4120 |
| a | 10.8795 ± 0.0004 Å |
| b | 13.8762 ± 0.0006 Å |
| c | 17.5684 ± 0.0007 Å |
| α | 108.268 ± 0.003° |
| β | 90.442 ± 0.003° |
| γ | 107.481 ± 0.003° |
| Cell volume | 2387 ± 0.18 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1877 |
| Residual factor for significantly intense reflections | 0.0894 |
| Weighted residual factors for significantly intense reflections | 0.1971 |
| Weighted residual factors for all reflections included in the refinement | 0.2498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345617.cif |
| 194727 | 2017-04-04 | cif/ Adding structures of 4345615, 4345616, 4345617, 4345618 via cif-deposit CGI script. |
4345617.cif |
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Users of the data should acknowledge the original authors of the
structural data.